SCHEMBL27953799

SCHEMBL27953799

C1=Cc2cc3ccc(cc4nc(cc5ccc(cc1n2)[nH]5)C=C4)[nH]3.Clc1ccc([Co](c2ccc(Cl)cc2)(c2ccc(Cl)cc2)c2ccc(Cl)cc2)cc1

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ STAT3 P40763 1/20 0.32
▸ STAT1 P42224 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ KDM4E B2RXH2 2/20 0.31
▸ NPC1 O15118 2/20 0.31
▸ ALDH1A1 P00352 2/20 0.31
▸ HPGD P15428 2/20 0.31
▸ RAB9A P51151 2/20 0.31
▸ SMN1; SMN2 Q16637 2/20 0.31
▸ PKM P14618 1/20 0.31
▸ MEN1 O00255 1/20 0.30
▸ TP53 P04637 1/20 0.30
▸ APP P05067 1/20 0.30
▸ GAA P10253 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ NFKB1 P19838 1/20 0.30
▸ SNCA P37840 1/20 0.30
▸ NFKB2 Q00653 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ RELA Q04206 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL11061663 0.82 STAT3 (0.43) STAT3STAT1
Selenium SCHEMBL31663457 0.81 STAT3 (0.41) STAT3STAT1
SCHEMBL28958894 0.81 STAT3 (0.33) STAT3STAT1MAPK1KDM4ENPC1
SCHEMBL28449186 0.81 STAT3 (0.33) STAT3STAT1MAPK1KDM4ENPC1
SCHEMBL27999719 0.81 STAT3 (0.33) STAT3STAT1MAPK1KDM4ENPC1
SCHEMBL28465529 0.81 STAT3 (0.33) STAT3STAT1MAPK1KDM4ENPC1
SCHEMBL27943633 0.79 STAT3 (0.32) STAT3STAT1MAPK1KDM4ENPC1
SCHEMBL27957251 0.79 STAT3 (0.32) STAT3STAT1MAPK1KDM4ENPC1
Chloroform SCHEMBL27862336 0.79 STAT3 (0.38) STAT3STAT1
SCHEMBL15809 0.79 STAT3 (0.42) STAT3STAT1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103694093-A Method for preparing p-methoxybenzaldehyde perfume in presence of metalloporphyrin through catalytic oxidation of p-methoxytoluene UNIV BEIJING TECHNOLOGY 2014-04-02 — — CN disclosed
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